SCHEMBL900992

SCHEMBL900992

O=C(O)c1ccc(CCc2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.73
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA3 P07451 1/20 0.73
TYR P14679 1/20 0.73
DRD1 P21728 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA5A P35218 1/20 0.73
CA7 P43166 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
CA5B Q9Y2D0 1/20 0.73
SRD5A2 P31213 1/20 0.64
ESR1 P03372 1/20 0.64
ESR2 Q92731 1/20 0.64
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
RARB P10826 3/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Paraben SCHEMBL9244762 0.91 CA12 (0.67) CA2CA12CA1CA3TYR
SCHEMBL9101705 0.91 CA12 (0.67) CA2CA12CA1CA3TYR
SCHEMBL70166 0.91 TSHR (0.67) CA2CA12CA1CA3TYR
Terephthalic Acid SCHEMBL4612225 0.91 TSHR (0.67) CA2CA12CA1CA3TYR
Hydrochloric Acid SCHEMBL7132238 0.88 TSHR (0.63) CA2CA12CA1CA3TYR
Terephthalic Acid SCHEMBL10409003 0.88 ESR1 (0.63) CA2CA12CA1CA3TYR
SCHEMBL2130368 0.86 CA2 (0.73) CA2CA12CA1CA3TYR
Terephthalic Acid SCHEMBL6692916 0.85 CA2 (1.00) CA2CA12CA1CA3TYR
Paraben SCHEMBL20500516 0.85 CA2 (1.00) CA2CA12CA1CA3TYR
Terephthalic Acid SCHEMBL3460105 0.85 CA2 (1.00) CA2CA12CA1CA3TYR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500627-A1 ADDUCTS AND USES THEREOF Huntsman Advanced Materials Americas LLC (US) 2019-06-26 EP disclosed
WO-2018035397-A1 ADDUCTS AND USES THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2018-02-22 WO disclosed
EP-2726529-A1 HYBRID EPOXY RESINS Dow Global Technologies LLC (US) 2014-05-07 EP disclosed
EP-2726530-A1 HYBRID EPOXY RESIN ADDUCTS Dow Global Technologies LLC (US) 2014-05-07 EP disclosed
EP-2621994-A1 EPOXY RESIN COMPOSITIONS Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
EP-2621992-A2 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
WO-2013055411-A1 HYBRID EPOXY RESINS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-18 WO disclosed
EP-2563835-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS Dow Global Technologies LLC (US) 2013-03-06 EP disclosed
WO-2013006250-A1 HYBRID EPOXY RESIN ADDUCTS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-10 WO disclosed
WO-2012050688-A2 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-19 WO disclosed
US-6960681-B2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORPORATION (JP) 2005-11-01 US disclosed
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRIES CO., LTD. 2005-04-07 US disclosed
US-6831190-B1 Acts effectively in stomach, the antibacterial activity becomes weak as the compounds moves from duodenum to small intestines; do not have activity against esylhiacori, staphylococcus aureus, methacycline resistant bacterium TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2004-12-14 US disclosed
EP-1449828-A2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives Nagase ChemteX Corporation (JP) 2004-08-25 EP disclosed
US-6284791-B1 USEFUL AS AN ANTI-MICROBIAL AGAINST HELICOBACTER PYLORI TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2001-09-04 US disclosed
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0775692-B1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEM IND CO LTD (JP) 2000-12-06 EP disclosed
EP-0989112-A2 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-03-29 EP disclosed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives GCK, ADCY9, ADCY7 CA2 454/4885CA12 1533/4885CA1 1488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.